4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol

C15H32O2Si — CID 150585596

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
SMILESCCCC(C)C(C=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-10-13(2)14(11-9-12-16)17-18(6,7)15(3,4)5/h9,11,13-14,16H,8,10,12H2,1-7H3
InChIKeyIOTPYJXPQHJPDB-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol (PubChem CID 150585596) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
PubChem CID150585596
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
SMILESCCCC(C)C(C=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-10-13(2)14(11-9-12-16)17-18(6,7)15(3,4)5/h9,11,13-14,16H,8,10,12H2,1-7H3
InChIKeyIOTPYJXPQHJPDB-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
CID 12771827
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol (CID 150585596) is 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol is CCCC(C)C(C=CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
The InChIKey is IOTPYJXPQHJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-10-13(2)14(11-9-12-16)17-18(6,7)15(3,4)5/h9,11,13-14,16H,8,10,12H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol is sourced from PubChem (CID 150585596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).